Monomers
Triallyl citrate
Identifiers
IUPAC name
tris(prop-2-enyl) 2-hydroxypropane-1,2,3-tricarboxylate
InchI
InChI=1S/C15H20O7/c1-4-7-20-12(16)10-15(19,14(18)22-9-6-3)11-13(17)21-8-5-2/h4-6,19H,1-3,7-11H2
InchI Key
PLCFYBDYBCOLSP-UHFFFAOYSA-N
SMILES
C=CCOC(=O)C(CC(=O)OCC=C)(CC(=O)OCC=C)O
Canonical SMILES
C=CCOC(=O)CC(CC(=O)OCC=C)(C(=O)OCC=C)O
Isomeric SMILES
C=CCOC(=O)CC(CC(=O)OCC=C)(C(=O)OCC=C)O
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C15H20O7
Heavy Atom Count
22
Molecular Weight
312.318
Exact Molecular Weight
312.1209
Valence Electrons
122
Radical Electrons
0
tPSA
99.13
MolLogP
0.6853
H Bond Acceptors
7
H Bond Donors
1
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0
MOL File
RDKit 3D
42 41 0 0 0 0 0 0 0 0999 V2000
-1.0689 6.2536 -0.0490 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0331 5.2551 -0.9132 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0432 4.1811 -0.9637 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4839 2.8982 -0.7502 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8172 2.5239 0.3794 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6662 3.3317 1.3117 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2240 1.1355 0.5847 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6959 0.9065 -0.5619 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4483 -0.3537 -0.5521 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5354 -1.1701 0.3850 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1620 -0.7112 -1.7146 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8999 -1.9000 -1.7740 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9807 -2.0141 -0.7853 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9734 -3.0018 0.0887 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4404 0.2400 0.4480 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2523 -1.1861 0.5787 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2093 -1.9128 -0.4752 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1071 -1.8880 1.7854 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9259 -3.3113 1.7861 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0884 -3.9950 1.1403 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9271 -4.7544 0.0672 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3747 1.0730 1.8027 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8906 6.2728 0.6559 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3008 7.0067 -0.0638 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2189 5.2211 -1.6237 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8451 4.4248 -0.2420 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5649 4.1225 -1.9624 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4696 1.7212 -0.6369 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1228 0.9056 -1.5359 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3687 -1.9111 -2.8022 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2521 -2.8079 -1.7293 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8163 -1.3240 -0.7144 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1700 -3.7265 0.0768 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7346 -3.1549 0.8479 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2419 0.6288 1.1541 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9071 0.4401 -0.5655 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0049 -3.5474 1.2719 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9534 -3.6118 2.8560 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0801 -3.8828 1.5365 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9265 -4.8661 -0.3300 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7513 -5.2532 -0.4102 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0417 1.7420 2.3986 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 3
2 3 1 0
3 4 1 0
4 5 1 0
5 6 2 0
5 7 1 0
7 8 1 0
8 9 1 0
9 10 2 0
9 11 1 0
11 12 1 0
12 13 1 0
13 14 2 3
7 15 1 0
15 16 1 0
16 17 2 0
16 18 1 0
18 19 1 0
19 20 1 0
20 21 2 3
7 22 1 0
1 23 1 0
1 24 1 0
2 25 1 0
3 26 1 0
3 27 1 0
8 28 1 0
8 29 1 0
12 30 1 0
12 31 1 0
13 32 1 0
14 33 1 0
14 34 1 0
15 35 1 0
15 36 1 0
19 37 1 0
19 38 1 0
20 39 1 0
21 40 1 0
21 41 1 0
22 42 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers